| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PARP1 0.41 nM (IC50)
PARP1-IN-33 targets poly(ADP-ribose) polymerase 1 (PARP1), a nuclear enzyme that catalyzes the transfer of ADP-ribose units from NAD+ to target proteins. PARP1 plays a key role in DNA repair, particularly in the base excision repair (BER) pathway. Overactivation of PARP1 under conditions of oxidative stress leads to depletion of NAD+ and ATP, resulting in cell dysfunction and death. PARP1-IN-33 is a highly potent PARP1 inhibitor (IC₅0 = 0.41 nM). By inhibiting PARP1, it protects retinal cells from oxidative stress-induced damage. |
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| ln Vitro |
PARP1-IN-33 has a strong protective effect against retinal cell damage caused by hydrogen peroxide[1].
In vitro, PARP1-IN-33 is a potent PARP1 inhibitor with an IC₅0 of 0.41 nM. It exhibits strong protective effects against hydrogen peroxide (H2O2)-induced retinal cell damage in human retinal pigment epithelial (RPE) cells. The cytoprotective effect has an EC₅0 of 0.02 nM (inhibits H2O2-induced MTS activity). PARP1-IN-33 (less than 150 nM, 6 h incubation) protects against hydrogen peroxide-induced damage to retinal cells. It is a highly potent PARP1 inhibitor for research on retinal diseases. |
| ln Vivo |
PARP1-IN-33 exhibits a strong protective effect against retinal cell damage caused by hydrogen peroxide in vitro, with an EC₅0 of 0.02 nM. It is valuable for research applications aimed at understanding retinal oxidative stress and developing therapeutic strategies for retinal diseases. The compound is a research-grade chemical and is not an approved drug. No in vivo efficacy data is provided.
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| Enzyme Assay |
The in vitro PARP1 enzyme inhibition assay is performed using a chemiluminescent or fluorometric assay. Purified recombinant human PARP1 (1-10 ng) is incubated in assay buffer (50 mM Tris-HCl pH 8.0, 10 mM MgCl2, 1 mM DTT) with 10 uM NAD+, 100 ng/mL activated DNA, and a biotinylated PARP substrate. PARP1-IN-33 (0.001-1000 nM) is added. The reaction is incubated at 25degC for 30-60 min. The incorporation of biotinylated ADP-ribose is detected using streptavidin-HRP. IC₅0 (0.41 nM) is calculated. For cell-based assays, human retinal pigment epithelial (RPE) cells are used.
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| Cell Assay |
Cell Viability Assay [1]
Cell Types: H2O2 induced human retinal pigment epithelial Cell Types Tested Tested Concentrations: Less than 150 nM Incubation Duration: 6 h Experimental Results: Protected against hydrogen peroxide-induced damage to retinal cells. For cytoprotection assays, human retinal pigment epithelial (RPE) cells (ARPE-19) are seeded in 96-well plates (1×10⁴ cells/well) and cultured for 24 h. PARP1-IN-33 (0.001-1000 nM) is added for 2-6 h, then H2O2 (100-500 uM) is added to induce oxidative stress. After 24 h, cell viability is measured by MTS assay. The EC₅0 for protection against H2O2-induced damage (0.02 nM) is calculated. For PARP1 activity in cells, PAR levels are measured by immunofluorescence or ELISA. |
| Animal Protocol |
No in vivo animal protocol for PARP1-IN-33 exists, as it is a research-grade compound, not a drug candidate. For in vivo efficacy studies of PARP1 inhibitors in retinal disease, a mouse model of light-induced retinal degeneration or diabetic retinopathy can be used. PARP1-IN-33 would be formulated in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline and administered intravitreally (1-10 uM) or intraperitoneally (1-10 mg/kg). Retinal function is assessed by electroretinography (ERG), and retinal morphology is assessed by histology. No specific data is available.
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| ADME/Pharmacokinetics |
No PK data for PARP1-IN-33 is available. As a small molecule (MW 426.91), it is expected to have good cell permeability. Solubility: May dissolve in DMSO. For research use, it is stored as a powder at -20degC for 3 years, 4degC for 2 years; in solvent at -80degC for 6 months, -20degC for 1 month, protected from light and moisture. The compound is for research use only.
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| Toxicity/Toxicokinetics |
For PARP1-IN-33, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at 4degC, sealed, protect from light.
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| References | |
| Additional Infomation |
PARP1-IN-33 (Example 6; CAS# 2640677-68-3) is a research-grade, highly potent PARP1 inhibitor (IC₅0 = 0.41 nM) with retinal cytoprotective effects (EC₅0 = 0.02 nM). It is not an FDA-approved drug. It is used to study the role of PARP1 in retinal oxidative stress and for developing therapies for retinal diseases. For research use only, not for diagnostic or therapeutic applications.
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| Molecular Formula |
C23H24CLFN4O
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|---|---|
| Molecular Weight |
426.91
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| Exact Mass |
426.162
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| CAS # |
2640677-68-3
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| PubChem CID |
156317960
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
655
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCN1CCCC2=CC3=C(C(=CC=C3)F)C(=O)N2)C4=CC=C(C=C4)C#N.Cl
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| InChi Key |
VNLWSTOCVHRJSX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H23FN4O.ClH/c24-21-5-1-3-18-15-19(26-23(29)22(18)21)4-2-10-27-11-13-28(14-12-27)20-8-6-17(16-25)7-9-20;/h1,3,5-9,15H,2,4,10-14H2,(H,26,29);1H
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| Chemical Name |
4-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]benzonitrile;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3424 mL | 11.7121 mL | 23.4241 mL | |
| 5 mM | 0.4685 mL | 2.3424 mL | 4.6848 mL | |
| 10 mM | 0.2342 mL | 1.1712 mL | 2.3424 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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